SCHEMBL10065404

SCHEMBL10065404

Cn1c(=O)cc(N)n(Cc2ccccc2C#N)c1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
DPP4 P27487 10/20 0.60
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
KMT2A Q03164 1/20 0.53
PARG Q86W56 2/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NOX4 Q9NPH5 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16845918 0.90 HPGD (0.60) CYP3A4DPP4OPRM1OPRK1KMT2A
SCHEMBL28406812 0.85 DPP4 (0.58) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL17036598 0.85 DPP4 (0.58) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL8417573 0.84 DPP4 (0.57) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL389683 0.84 DPP4 (0.57) CYP3A4DPP4OPRM1OPRK1KMT2A
SCHEMBL16845920 0.81 DPP4 (0.54) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL21253399 0.80 DPP4 (0.56) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL7932462 0.79 DPP4 (0.77) DPP4OPRM1OPRK1KMT2AALDH1A1
SCHEMBL28406806 0.77 DPP4 (0.51) DPP4OPRM1OPRK1KMT2APARG
SCHEMBL28077382 0.77 DPP4 (0.75) DPP4OPRM1OPRK1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2410855-B1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN MAPI PHARMA LTD (IL) 2016-06-01 EP disclosed
US-8841447-B2 Process for the preparation of alogliptin MAPI PHARMA LTD. (IL) 2014-09-23 US disclosed
US-20120029000-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN MAPI PHARMA LIMITED (IL) 2012-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120029000-A1 PROCESS FOR THE PREPARATION OF ALOGLIPTIN DPP7, DPP4, DPP8 CYP3A4 233/4885DPP4 2/4885OPRM1 2323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.